2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde

C13H6Cl2F3NO — CID 118802444

IUPAC2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)ccnc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H6Cl2F3NO/c14-7-1-2-8(11(15)5-7)12-9(6-20)10(3-4-19-12)13(16,17)18/h1-6H
InChIKeyXGFZFGNYIOTBFW-UHFFFAOYSA-N
MW320.10 g/mol
LogP4.89
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde

2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 118802444) has the molecular formula C13H6Cl2F3NO and a molecular weight of 320.10 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID118802444
Molecular FormulaC13H6Cl2F3NO
Molecular Weight320.10 g/mol
Exact Mass318.98
IUPAC Name2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)ccnc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H6Cl2F3NO/c14-7-1-2-8(11(15)5-7)12-9(6-20)10(3-4-19-12)13(16,17)18/h1-6H
InChIKeyXGFZFGNYIOTBFW-UHFFFAOYSA-N
XLogP4.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.10
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde (CID 118802444) is 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1c(C(F)(F)F)ccnc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is XGFZFGNYIOTBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F3NO/c14-7-1-2-8(11(15)5-7)12-9(6-20)10(3-4-19-12)13(16,17)18/h1-6H.
What are the key properties of 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde?
2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 320.10 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 118802444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).